Butylacetanilide
TL;DR: Butylacetanilide (CAS 91-49-6) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-N-phenylacetamide
Also Known As: Butylacetanilide, N-BUTYLACETANILIDE, N-Butyl-N-phenylacetamide, Acetanilide, N-butyl-, N-butyl acetylaniline
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 173.0 |
| Melting Point | 24.5 °C |
| Boiling Point | 281 °C @ 760 MM HG |
| Density | 0.9912 @ 20 °C |
| Solubility | INSOL IN WATER |
| Flash Point | 141.1 °C CC |
| Refractive Index | 1.5146 @ 20 °C; MAX ABSORPTION (95% ALC): LESS THAN 220 NM; SADTLER REFERENCE NUMBER: 6633 (IR, PRISM) |
Chemical Identifiers
| CAS Number | 91-49-6 |
|---|---|
| SMILES | CCCCN(C1=CC=CC=C1)C(=O)C |
| InChIKey | ZWDZJRRQSXLOQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butylacetanilide (CAS 91-49-6), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: N-butyl-N-phenylacetamide.
Chemical Property Profile of Butylacetanilide
Property Insights of Butylacetanilide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butylacetanilide. With a topological polar surface area (TPSA) of 20.3 Ų, Butylacetanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylacetanilide has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butylacetanilide?
The CAS number of Butylacetanilide is 91-49-6.
What is the molecular formula of Butylacetanilide?
The molecular formula of Butylacetanilide is C12H17NO.
What is the molecular weight of Butylacetanilide?
The molecular weight of Butylacetanilide is 191.13 g/mol.
Where can I buy Butylacetanilide?
You can request a quote for Butylacetanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butylacetanilide?
Yes, KEHONG BIO provides custom synthesis services for Butylacetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.